data_AVS_bmrb_pdb_report_16840 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16840 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.Comp_overall_assignment_score _AVS_analysis.Comp_typing_score _AVS_analysis.Comp_SRO_score _AVS_analysis.Comp_1H_shifts_analysis_status _AVS_analysis.Comp_13C_shifts_analysis_status _AVS_analysis.Comp_15N_shifts_analysis_status _AVS_analysis.SRO_rule_break _AVS_analysis.SRO_rule_break_probability _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 76 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16840 1 1 1 1 99 ASP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16840 1 1 1 1 102 ASN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16840 1 1 1 1 135 GLY Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16840 1 1 1 1 153 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16840 1 1 1 1 176 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16840 1 stop_ loop_ _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.Atom_ID _AVS_analysis.Observed_chem_shift _AVS_analysis.Observed_chem_shift_typing _AVS_analysis.Stat_chem_shift_expected _AVS_analysis.Stat_chem_shift_std _AVS_analysis.Stat_chem_shift_chi_sqr _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 76 GLU C 174.987 . 176.93 2.11 3.5713e-01 16840 1 1 1 1 76 GLU CA 57.964 . 57.42 2.19 8.0382e-01 16840 1 1 1 1 76 GLU CB 27.790 . 30.07 1.84 2.1530e-01 16840 1 1 1 1 76 GLU CG 36.734 . 36.01 1.51 6.3160e-01 16840 1 1 1 1 76 GLU H 8.413 . 8.34 0.61 9.0474e-01 16840 1 1 1 1 76 GLU HA 3.649 . 4.26 0.43 1.5534e-01 16840 1 1 1 1 76 GLU HB2 2.261 . 2.04 0.22 3.1512e-01 16840 1 1 1 1 76 GLU HB3 2.256 . 2.04 0.23 3.4766e-01 16840 1 1 1 1 76 GLU HG2 2.117 . 2.31 0.21 3.5807e-01 16840 1 1 1 1 76 GLU HG3 2.219 . 2.31 0.21 6.6477e-01 16840 1 1 1 1 76 GLU N 107.499 A 120.68 3.68 3.4124e-04 16840 1 1 1 1 99 ASP C 174.482 . 176.41 1.77 2.7604e-01 16840 1 1 1 1 99 ASP CA 54.479 . 54.52 2.1 9.8442e-01 16840 1 1 1 1 99 ASP CB 39.471 . 40.7 1.67 4.6177e-01 16840 1 1 1 1 99 ASP H 8.599 . 8.33 0.57 6.3698e-01 16840 1 1 1 1 99 ASP HA 3.850 . 4.61 0.31 1.4222e-02 16840 1 1 1 1 99 ASP HB2 1.239 A 2.74 0.29 2.2686e-07 16840 1 1 1 1 99 ASP HB3 2.554 . 2.7 0.29 6.1465e-01 16840 1 1 1 1 99 ASP N 129.440 . 120.73 4.2 3.8097e-02 16840 1 1 1 1 102 ASN C 176.385 . 175.16 1.76 4.8641e-01 16840 1 1 1 1 102 ASN CA 52.262 . 53.43 1.94 5.4713e-01 16840 1 1 1 1 102 ASN CB 42.581 . 38.66 1.78 2.7608e-02 16840 1 1 1 1 102 ASN CG 174.333 . 176.61 1.33 8.6891e-02 16840 1 1 1 1 102 ASN H 8.238 . 8.37 0.65 8.3907e-01 16840 1 1 1 1 102 ASN HA 6.336 A 4.7 0.39 2.7303e-05 16840 1 1 1 1 102 ASN HB2 2.171 . 2.8 0.34 6.4314e-02 16840 1 1 1 1 102 ASN HB3 3.042 . 2.78 0.34 4.4095e-01 16840 1 1 1 1 102 ASN HD21 8.197 . 7.27 0.52 7.4637e-02 16840 1 1 1 1 102 ASN HD22 6.730 . 7.2 0.52 3.6608e-01 16840 1 1 1 1 102 ASN N 121.570 . 119.13 4.42 5.8092e-01 16840 1 1 1 1 102 ASN ND2 115.616 . 112.83 2.6 2.8393e-01 16840 1 1 1 1 135 GLY C 174.843 . 174.04 1.94 6.7893e-01 16840 1 1 1 1 135 GLY CA 44.065 . 45.33 1.42 3.7301e-01 16840 1 1 1 1 135 GLY H 9.728 . 8.34 0.74 6.0700e-02 16840 1 1 1 1 135 GLY HA2 3.987 . 3.95 0.4 9.2630e-01 16840 1 1 1 1 135 GLY HA3 6.252 A 3.93 0.4 6.4366e-09 16840 1 1 1 1 135 GLY N 107.245 . 109.91 4.29 5.3446e-01 16840 1 1 1 1 153 GLU C 181.741 A 176.93 2.11 2.2602e-02 16840 1 1 1 1 153 GLU CA 59.458 . 57.42 2.19 3.5206e-01 16840 1 1 1 1 153 GLU CB 29.371 . 30.07 1.84 7.0403e-01 16840 1 1 1 1 153 GLU CG 36.780 . 36.01 1.51 6.1010e-01 16840 1 1 1 1 153 GLU H 8.263 . 8.34 0.61 8.9955e-01 16840 1 1 1 1 153 GLU HA 4.402 . 4.26 0.43 7.4122e-01 16840 1 1 1 1 153 GLU HB2 2.170 . 2.04 0.22 5.5458e-01 16840 1 1 1 1 153 GLU HB3 2.010 . 2.04 0.23 8.9622e-01 16840 1 1 1 1 153 GLU HG2 2.408 . 2.31 0.21 6.4074e-01 16840 1 1 1 1 153 GLU HG3 2.245 . 2.31 0.21 7.5692e-01 16840 1 1 1 1 153 GLU N 125.194 . 120.68 3.68 2.1996e-01 16840 1 1 1 1 176 GLU C 181.801 A 176.93 2.11 2.0970e-02 16840 1 1 1 1 176 GLU CA 58.575 . 57.42 2.19 5.9792e-01 16840 1 1 1 1 176 GLU CB 30.739 . 30.07 1.84 7.1617e-01 16840 1 1 1 1 176 GLU CG 37.096 . 36.01 1.51 4.7201e-01 16840 1 1 1 1 176 GLU H 8.589 . 8.34 0.61 6.8313e-01 16840 1 1 1 1 176 GLU HA 4.031 . 4.26 0.43 5.9434e-01 16840 1 1 1 1 176 GLU HB2 2.075 . 2.04 0.22 8.7360e-01 16840 1 1 1 1 176 GLU HB3 1.973 . 2.04 0.23 7.7082e-01 16840 1 1 1 1 176 GLU HG2 2.341 . 2.31 0.21 8.8264e-01 16840 1 1 1 1 176 GLU HG3 2.313 . 2.31 0.21 9.8860e-01 16840 1 1 1 1 176 GLU N 127.362 . 120.68 3.68 6.9407e-02 16840 1 stop_ loop_ _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.PRTL_comp_type _AVS_analysis.PRTL_probability_score _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 76 GLU CYS 0.41 16840 1 1 1 1 76 GLU GLU 0.27 16840 1 1 1 1 76 GLU ILE 0.21 16840 1 1 1 1 76 GLU LYS 0.07 16840 1 1 1 1 76 GLU GLN 0.01 16840 1 1 1 1 99 ASP ASN 0.24 16840 1 1 1 1 99 ASP ASP 0.23 16840 1 1 1 1 99 ASP CYS 0.15 16840 1 1 1 1 99 ASP TYR 0.12 16840 1 1 1 1 99 ASP PHE 0.11 16840 1 1 1 1 99 ASP LEU 0.08 16840 1 1 1 1 99 ASP LYS 0.01 16840 1 1 1 1 99 ASP ILE 0.01 16840 1 1 1 1 102 ASN CYS 0.48 16840 1 1 1 1 102 ASN ASP 0.2 16840 1 1 1 1 102 ASN GLY 0.17 16840 1 1 1 1 102 ASN ASN 0.14 16840 1 1 1 1 135 GLY ARG 0.27 16840 1 1 1 1 135 GLY GLY 0.26 16840 1 1 1 1 135 GLY LEU 0.25 16840 1 1 1 1 135 GLY CYS 0.1 16840 1 1 1 1 135 GLY ASP 0.03 16840 1 1 1 1 135 GLY PHE 0.03 16840 1 1 1 1 135 GLY TYR 0.01 16840 1 1 1 1 135 GLY LYS 0.01 16840 1 1 1 1 153 GLU CYS 0.33 16840 1 1 1 1 153 GLU GLU 0.32 16840 1 1 1 1 153 GLU ILE 0.26 16840 1 1 1 1 153 GLU LYS 0.04 16840 1 1 1 1 153 GLU MET 0.01 16840 1 1 1 1 153 GLU GLN 0.01 16840 1 1 1 1 176 GLU CYS 0.38 16840 1 1 1 1 176 GLU GLU 0.37 16840 1 1 1 1 176 GLU ILE 0.14 16840 1 1 1 1 176 GLU MET 0.06 16840 1 1 1 1 176 GLU LYS 0.02 16840 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16840 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 1.4 _Software.Details ; Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous" ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu 16840 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16840 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16840 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16840 _Citation.ID 2 _Citation.Class citation _Citation.PubMed_ID 14872126 _Citation.Full_citation ; Moseley HN, Sahota G, Montelione GT., Assignment validation software suite for the evaluation and presentation of protein resonance assignment data. J Biomol NMR. 28, 341-55 (2004) ; _Citation.Status published _Citation.Type journal save_